ALA4592190Name:
tert-Butyl N-(4-bromobenzyl)-N-(prop-2-yn-1-yl)glycinateMol. Formula:
C16H20BrNO2M.W.:
338.25Type:
UnknownAlogP:
3.23Polar Surface Area:
29.54HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA4589637Name:
N-(2-bromo-4-chlorobenzyl)-N-methylprop-2-yn-1-amineMol. Formula:
C11H11BrClNM.W.:
272.57Type:
UnknownAlogP:
3.17Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS
Type:
UnknownAlogP:
2.51Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.73DETAILS
ALA4582299Name:
N-(4-bromobenzyl)-N-((3-methylisoxazol-5-yl)methyl)prop-2-yn-1-amineMol. Formula:
C15H15BrN2OM.W.:
319.20Type:
UnknownAlogP:
3.38Polar Surface Area:
29.27HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA4578387Name:
N-(4-bromo-2-methoxybenzyl)-N-methylprop-2-yn-1-amineMol. Formula:
C12H14BrNOM.W.:
268.15Type:
UnknownAlogP:
2.52Polar Surface Area:
12.47HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
UnknownAlogP:
2.40Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.67DETAILS - ALA4569297
Name:
N-(2,4-dimethoxybenzyl)-N-methylprop-2-yn-1-amineMol. Formula:
C13H17NO2M.W.:
219.28Type:
UnknownAlogP:
1.77Polar Surface Area:
21.70HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4568453
Name:
N-(4-bromobenzyl)-N-(prop-2-yn-1-yl)methanesulfonamideMol. Formula:
C11H12BrNO2SM.W.:
302.19Type:
UnknownAlogP:
1.84Polar Surface Area:
37.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
2.40Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
1.66Polar Surface Area:
46.38HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
UnknownAlogP:
2.56Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4562371
Name:
N-(1-(4-bromophenyl)ethyl)-N-methylprop-2-yn-1-amineMol. Formula:
C12H14BrNM.W.:
252.16Type:
UnknownAlogP:
3.08Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4560460
Name:
N-methyl-N-((3-methylisoxazol-5-yl)methyl)prop-2-yn-1-amineMol. Formula:
C9H12N2OM.W.:
164.21Type:
UnknownAlogP:
1.05Polar Surface Area:
29.27HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.63DETAILS - ALA4560325
Name:
N-((4'-fluoro-[1,1'-biphenyl]-4-yl)methyl)-N-methylprop-2-yn-1-amineMol. Formula:
C17H16FNM.W.:
253.32Type:
UnknownAlogP:
3.56Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4557576
Name:
N-(4-bromobenzyl)-N-(prop-2-yn-1-yl)but-3-en-1-amineMol. Formula:
C14H16BrNM.W.:
278.19Type:
UnknownAlogP:
3.46Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
2.40Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.67DETAILS - ALA4554149
Name:
N-(2,6-dichlorobenzyl)-N-methylprop-2-yn-1-amineMol. Formula:
C11H11Cl2NM.W.:
228.12Type:
UnknownAlogP:
3.06Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
3.07Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
UnknownAlogP:
2.43Polar Surface Area:
20.31HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
1.66Polar Surface Area:
46.38HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS
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